USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 630 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.0939 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0142 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot 120:sc= -1.21 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 136:sc= 0.0649 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc=-0.00119 X(o=-0.0012,f=0) USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 89:sc= -0.565 USER MOD Single : A 50 LYS NZ :NH3+ -132:sc= -1.85! (180deg=-4.1!) USER MOD Single : A 52 ASN : amide:sc= -0.546 X(o=-0.55,f=-0.11) USER MOD Single : A 53 ASN : amide:sc= -0.997 X(o=-1,f=-0.85) USER MOD Single : A 66 CYS SG : rot -74:sc= -4.96! USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0702 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.0142 X(o=-0.014,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.939 9.020 -7.619 1.00 0.00 N ATOM 2 CA GLY A 1 -20.535 8.850 -6.234 1.00 0.00 C ATOM 3 C GLY A 1 -21.546 7.993 -5.469 1.00 0.00 C ATOM 4 O GLY A 1 -22.360 7.298 -6.075 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.156 8.743 -8.245 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.767 8.422 -7.815 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.183 10.016 -7.790 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.552 8.382 -6.193 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.444 9.825 -5.756 1.00 0.00 H new ATOM 8 N SER A 2 -21.460 8.070 -4.149 1.00 0.00 N ATOM 9 CA SER A 2 -22.358 7.310 -3.295 1.00 0.00 C ATOM 10 C SER A 2 -22.893 8.202 -2.174 1.00 0.00 C ATOM 11 O SER A 2 -24.104 8.378 -2.040 1.00 0.00 O ATOM 12 CB SER A 2 -21.653 6.085 -2.709 1.00 0.00 C ATOM 13 OG SER A 2 -22.535 5.288 -1.923 1.00 0.00 O ATOM 0 H SER A 2 -20.783 8.647 -3.650 1.00 0.00 H new ATOM 0 HA SER A 2 -23.193 6.960 -3.901 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.242 5.481 -3.518 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.813 6.409 -2.095 1.00 0.00 H new ATOM 0 HG SER A 2 -22.049 4.515 -1.568 1.00 0.00 H new ATOM 19 N SER A 3 -21.966 8.742 -1.396 1.00 0.00 N ATOM 20 CA SER A 3 -22.331 9.611 -0.290 1.00 0.00 C ATOM 21 C SER A 3 -21.717 10.998 -0.491 1.00 0.00 C ATOM 22 O SER A 3 -22.434 11.996 -0.550 1.00 0.00 O ATOM 23 CB SER A 3 -21.880 9.020 1.047 1.00 0.00 C ATOM 24 OG SER A 3 -22.912 9.070 2.028 1.00 0.00 O ATOM 0 H SER A 3 -20.963 8.595 -1.510 1.00 0.00 H new ATOM 0 HA SER A 3 -23.417 9.700 -0.269 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.570 7.986 0.900 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.009 9.566 1.409 1.00 0.00 H new ATOM 0 HG SER A 3 -22.585 8.682 2.866 1.00 0.00 H new ATOM 30 N GLY A 4 -20.396 11.017 -0.591 1.00 0.00 N ATOM 31 CA GLY A 4 -19.677 12.265 -0.783 1.00 0.00 C ATOM 32 C GLY A 4 -18.411 12.307 0.075 1.00 0.00 C ATOM 33 O GLY A 4 -18.489 12.291 1.303 1.00 0.00 O ATOM 0 H GLY A 4 -19.804 10.187 -0.543 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.412 12.378 -1.834 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.323 13.104 -0.525 1.00 0.00 H new ATOM 37 N SER A 5 -17.275 12.360 -0.604 1.00 0.00 N ATOM 38 CA SER A 5 -15.995 12.405 0.081 1.00 0.00 C ATOM 39 C SER A 5 -15.983 11.400 1.234 1.00 0.00 C ATOM 40 O SER A 5 -16.267 11.757 2.376 1.00 0.00 O ATOM 41 CB SER A 5 -15.697 13.813 0.601 1.00 0.00 C ATOM 42 OG SER A 5 -14.482 14.333 0.069 1.00 0.00 O ATOM 0 H SER A 5 -17.214 12.373 -1.622 1.00 0.00 H new ATOM 0 HA SER A 5 -15.216 12.139 -0.633 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.521 14.478 0.340 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.637 13.792 1.689 1.00 0.00 H new ATOM 0 HG SER A 5 -14.329 15.234 0.424 1.00 0.00 H new ATOM 48 N SER A 6 -15.651 10.162 0.895 1.00 0.00 N ATOM 49 CA SER A 6 -15.599 9.103 1.888 1.00 0.00 C ATOM 50 C SER A 6 -14.953 7.853 1.286 1.00 0.00 C ATOM 51 O SER A 6 -15.284 7.455 0.170 1.00 0.00 O ATOM 52 CB SER A 6 -16.996 8.775 2.418 1.00 0.00 C ATOM 53 OG SER A 6 -16.958 8.284 3.755 1.00 0.00 O ATOM 0 H SER A 6 -15.416 9.869 -0.053 1.00 0.00 H new ATOM 0 HA SER A 6 -14.994 9.450 2.726 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.618 9.669 2.378 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.464 8.032 1.772 1.00 0.00 H new ATOM 0 HG SER A 6 -17.869 8.088 4.057 1.00 0.00 H new ATOM 59 N GLY A 7 -14.043 7.269 2.052 1.00 0.00 N ATOM 60 CA GLY A 7 -13.348 6.073 1.608 1.00 0.00 C ATOM 61 C GLY A 7 -13.510 4.937 2.621 1.00 0.00 C ATOM 62 O GLY A 7 -13.021 5.030 3.746 1.00 0.00 O ATOM 0 H GLY A 7 -13.771 7.602 2.977 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.738 5.760 0.639 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.290 6.293 1.469 1.00 0.00 H new ATOM 66 N ASP A 8 -14.197 3.892 2.185 1.00 0.00 N ATOM 67 CA ASP A 8 -14.429 2.740 3.039 1.00 0.00 C ATOM 68 C ASP A 8 -13.448 1.627 2.665 1.00 0.00 C ATOM 69 O ASP A 8 -13.389 1.209 1.510 1.00 0.00 O ATOM 70 CB ASP A 8 -15.848 2.198 2.860 1.00 0.00 C ATOM 71 CG ASP A 8 -16.953 3.066 3.467 1.00 0.00 C ATOM 72 OD1 ASP A 8 -16.594 4.001 4.215 1.00 0.00 O ATOM 73 OD2 ASP A 8 -18.131 2.775 3.168 1.00 0.00 O ATOM 0 H ASP A 8 -14.601 3.819 1.251 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.291 3.055 4.073 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -16.044 2.080 1.794 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -15.900 1.205 3.306 1.00 0.00 H new ATOM 78 N SER A 9 -12.702 1.179 3.664 1.00 0.00 N ATOM 79 CA SER A 9 -11.726 0.123 3.454 1.00 0.00 C ATOM 80 C SER A 9 -12.440 -1.205 3.192 1.00 0.00 C ATOM 81 O SER A 9 -13.631 -1.338 3.468 1.00 0.00 O ATOM 82 CB SER A 9 -10.788 -0.007 4.656 1.00 0.00 C ATOM 83 OG SER A 9 -11.491 0.071 5.893 1.00 0.00 O ATOM 0 H SER A 9 -12.754 1.528 4.621 1.00 0.00 H new ATOM 0 HA SER A 9 -11.123 0.382 2.583 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.257 -0.957 4.600 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.036 0.781 4.616 1.00 0.00 H new ATOM 0 HG SER A 9 -10.858 -0.018 6.635 1.00 0.00 H new ATOM 89 N LYS A 10 -11.682 -2.154 2.663 1.00 0.00 N ATOM 90 CA LYS A 10 -12.227 -3.466 2.361 1.00 0.00 C ATOM 91 C LYS A 10 -11.083 -4.477 2.254 1.00 0.00 C ATOM 92 O LYS A 10 -9.935 -4.098 2.028 1.00 0.00 O ATOM 93 CB LYS A 10 -13.111 -3.404 1.114 1.00 0.00 C ATOM 94 CG LYS A 10 -12.296 -3.003 -0.118 1.00 0.00 C ATOM 95 CD LYS A 10 -12.873 -1.747 -0.772 1.00 0.00 C ATOM 96 CE LYS A 10 -12.929 -1.897 -2.294 1.00 0.00 C ATOM 97 NZ LYS A 10 -14.166 -1.287 -2.830 1.00 0.00 N ATOM 0 H LYS A 10 -10.694 -2.040 2.436 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.877 -3.804 3.168 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.577 -4.375 0.946 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -13.917 -2.687 1.271 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.260 -2.824 0.169 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -12.291 -3.822 -0.837 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -13.874 -1.558 -0.385 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.262 -0.883 -0.510 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -12.058 -1.422 -2.744 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.891 -2.953 -2.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -14.188 -1.398 -3.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -14.994 -1.759 -2.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -14.187 -0.275 -2.590 1.00 0.00 H new ATOM 111 N PRO A 11 -11.447 -5.776 2.427 1.00 0.00 N ATOM 112 CA PRO A 11 -10.464 -6.844 2.352 1.00 0.00 C ATOM 113 C PRO A 11 -10.057 -7.114 0.903 1.00 0.00 C ATOM 114 O PRO A 11 -10.842 -7.653 0.124 1.00 0.00 O ATOM 115 CB PRO A 11 -11.131 -8.038 3.015 1.00 0.00 C ATOM 116 CG PRO A 11 -12.621 -7.736 3.018 1.00 0.00 C ATOM 117 CD PRO A 11 -12.797 -6.261 2.696 1.00 0.00 C ATOM 0 HA PRO A 11 -9.531 -6.594 2.857 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.920 -8.957 2.468 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.759 -8.179 4.030 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.137 -8.352 2.281 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.056 -7.969 3.990 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.448 -6.119 1.833 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.251 -5.725 3.530 1.00 0.00 H new ATOM 125 N ILE A 12 -8.830 -6.728 0.584 1.00 0.00 N ATOM 126 CA ILE A 12 -8.309 -6.922 -0.758 1.00 0.00 C ATOM 127 C ILE A 12 -7.339 -8.105 -0.758 1.00 0.00 C ATOM 128 O ILE A 12 -6.967 -8.607 0.302 1.00 0.00 O ATOM 129 CB ILE A 12 -7.696 -5.624 -1.287 1.00 0.00 C ATOM 130 CG1 ILE A 12 -6.485 -5.207 -0.449 1.00 0.00 C ATOM 131 CG2 ILE A 12 -8.746 -4.514 -1.368 1.00 0.00 C ATOM 132 CD1 ILE A 12 -5.602 -4.220 -1.215 1.00 0.00 C ATOM 0 H ILE A 12 -8.182 -6.282 1.233 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.116 -7.171 -1.448 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.339 -5.804 -2.301 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.822 -4.752 0.482 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.903 -6.089 -0.181 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.284 -3.603 -1.747 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.548 -4.820 -2.040 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.155 -4.327 -0.375 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.749 -3.940 -0.597 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.247 -4.687 -2.134 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.180 -3.329 -1.461 1.00 0.00 H new ATOM 144 N LYS A 13 -6.956 -8.516 -1.958 1.00 0.00 N ATOM 145 CA LYS A 13 -6.037 -9.630 -2.110 1.00 0.00 C ATOM 146 C LYS A 13 -4.763 -9.144 -2.805 1.00 0.00 C ATOM 147 O LYS A 13 -4.831 -8.409 -3.789 1.00 0.00 O ATOM 148 CB LYS A 13 -6.721 -10.796 -2.825 1.00 0.00 C ATOM 149 CG LYS A 13 -5.703 -11.862 -3.236 1.00 0.00 C ATOM 150 CD LYS A 13 -5.998 -13.196 -2.549 1.00 0.00 C ATOM 151 CE LYS A 13 -7.222 -13.873 -3.169 1.00 0.00 C ATOM 152 NZ LYS A 13 -7.984 -14.612 -2.138 1.00 0.00 N ATOM 0 H LYS A 13 -7.266 -8.097 -2.835 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.741 -10.015 -1.134 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.472 -11.239 -2.170 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.245 -10.429 -3.708 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.725 -11.993 -4.318 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.698 -11.530 -2.976 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.132 -13.853 -2.635 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.169 -13.031 -1.485 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.862 -13.124 -3.635 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.906 -14.557 -3.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.811 -15.065 -2.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.376 -15.340 -1.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.302 -13.951 -1.401 1.00 0.00 H new ATOM 166 N VAL A 14 -3.632 -9.574 -2.266 1.00 0.00 N ATOM 167 CA VAL A 14 -2.345 -9.192 -2.823 1.00 0.00 C ATOM 168 C VAL A 14 -1.506 -10.448 -3.065 1.00 0.00 C ATOM 169 O VAL A 14 -1.131 -11.141 -2.120 1.00 0.00 O ATOM 170 CB VAL A 14 -1.657 -8.181 -1.903 1.00 0.00 C ATOM 171 CG1 VAL A 14 -0.181 -8.019 -2.274 1.00 0.00 C ATOM 172 CG2 VAL A 14 -2.380 -6.833 -1.931 1.00 0.00 C ATOM 0 H VAL A 14 -3.580 -10.183 -1.450 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.476 -8.699 -3.786 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.707 -8.567 -0.885 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.285 -7.295 -1.605 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.326 -8.979 -2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.101 -7.667 -3.302 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.871 -6.133 -1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.376 -6.439 -2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.409 -6.965 -1.597 1.00 0.00 H new ATOM 182 N THR A 15 -1.235 -10.704 -4.336 1.00 0.00 N ATOM 183 CA THR A 15 -0.447 -11.865 -4.715 1.00 0.00 C ATOM 184 C THR A 15 1.047 -11.541 -4.644 1.00 0.00 C ATOM 185 O THR A 15 1.476 -10.474 -5.081 1.00 0.00 O ATOM 186 CB THR A 15 -0.906 -12.316 -6.102 1.00 0.00 C ATOM 187 OG1 THR A 15 -2.184 -12.903 -5.872 1.00 0.00 O ATOM 188 CG2 THR A 15 -0.062 -13.467 -6.653 1.00 0.00 C ATOM 0 H THR A 15 -1.547 -10.127 -5.117 1.00 0.00 H new ATOM 0 HA THR A 15 -0.602 -12.692 -4.022 1.00 0.00 H new ATOM 0 HB THR A 15 -0.862 -11.472 -6.790 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.555 -13.221 -6.721 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.430 -13.748 -7.640 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.978 -13.151 -6.730 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.132 -14.323 -5.982 1.00 0.00 H new ATOM 196 N LEU A 16 1.798 -12.482 -4.092 1.00 0.00 N ATOM 197 CA LEU A 16 3.235 -12.310 -3.959 1.00 0.00 C ATOM 198 C LEU A 16 3.891 -12.455 -5.333 1.00 0.00 C ATOM 199 O LEU A 16 3.292 -13.006 -6.256 1.00 0.00 O ATOM 200 CB LEU A 16 3.794 -13.269 -2.906 1.00 0.00 C ATOM 201 CG LEU A 16 3.405 -12.975 -1.456 1.00 0.00 C ATOM 202 CD1 LEU A 16 3.810 -14.127 -0.535 1.00 0.00 C ATOM 203 CD2 LEU A 16 3.989 -11.638 -0.993 1.00 0.00 C ATOM 0 H LEU A 16 1.439 -13.366 -3.732 1.00 0.00 H new ATOM 0 HA LEU A 16 3.467 -11.308 -3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.465 -14.279 -3.152 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.882 -13.262 -2.978 1.00 0.00 H new ATOM 0 HG LEU A 16 2.320 -12.888 -1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.522 -13.892 0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.308 -15.041 -0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.889 -14.270 -0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.698 -11.452 0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.076 -11.672 -1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.609 -10.836 -1.626 1.00 0.00 H new ATOM 215 N PRO A 17 5.145 -11.939 -5.429 1.00 0.00 N ATOM 216 CA PRO A 17 5.889 -12.005 -6.675 1.00 0.00 C ATOM 217 C PRO A 17 6.416 -13.420 -6.925 1.00 0.00 C ATOM 218 O PRO A 17 7.102 -13.666 -7.916 1.00 0.00 O ATOM 219 CB PRO A 17 6.998 -10.977 -6.527 1.00 0.00 C ATOM 220 CG PRO A 17 7.118 -10.705 -5.037 1.00 0.00 C ATOM 221 CD PRO A 17 5.886 -11.280 -4.357 1.00 0.00 C ATOM 0 HA PRO A 17 5.271 -11.782 -7.545 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.937 -11.354 -6.932 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.760 -10.064 -7.073 1.00 0.00 H new ATOM 0 HG2 PRO A 17 8.023 -11.162 -4.637 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.193 -9.634 -4.849 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.160 -11.986 -3.573 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.291 -10.497 -3.888 1.00 0.00 H new ATOM 229 N ASP A 18 6.075 -14.314 -6.008 1.00 0.00 N ATOM 230 CA ASP A 18 6.504 -15.698 -6.116 1.00 0.00 C ATOM 231 C ASP A 18 5.312 -16.568 -6.519 1.00 0.00 C ATOM 232 O ASP A 18 5.475 -17.749 -6.821 1.00 0.00 O ATOM 233 CB ASP A 18 7.036 -16.215 -4.778 1.00 0.00 C ATOM 234 CG ASP A 18 8.486 -16.703 -4.803 1.00 0.00 C ATOM 235 OD1 ASP A 18 8.690 -17.857 -5.239 1.00 0.00 O ATOM 236 OD2 ASP A 18 9.359 -15.910 -4.387 1.00 0.00 O ATOM 0 H ASP A 18 5.507 -14.107 -5.187 1.00 0.00 H new ATOM 0 HA ASP A 18 7.296 -15.748 -6.863 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.949 -15.420 -4.038 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.399 -17.033 -4.443 1.00 0.00 H new ATOM 241 N GLY A 19 4.140 -15.950 -6.511 1.00 0.00 N ATOM 242 CA GLY A 19 2.921 -16.653 -6.872 1.00 0.00 C ATOM 243 C GLY A 19 1.978 -16.768 -5.672 1.00 0.00 C ATOM 244 O GLY A 19 0.759 -16.764 -5.833 1.00 0.00 O ATOM 0 H GLY A 19 4.009 -14.970 -6.260 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.420 -16.126 -7.684 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.167 -17.648 -7.242 1.00 0.00 H new ATOM 248 N LYS A 20 2.579 -16.867 -4.495 1.00 0.00 N ATOM 249 CA LYS A 20 1.809 -16.982 -3.269 1.00 0.00 C ATOM 250 C LYS A 20 0.760 -15.869 -3.223 1.00 0.00 C ATOM 251 O LYS A 20 0.789 -14.951 -4.041 1.00 0.00 O ATOM 252 CB LYS A 20 2.737 -17.002 -2.053 1.00 0.00 C ATOM 253 CG LYS A 20 2.892 -18.423 -1.505 1.00 0.00 C ATOM 254 CD LYS A 20 2.468 -18.494 -0.037 1.00 0.00 C ATOM 255 CE LYS A 20 0.946 -18.406 0.099 1.00 0.00 C ATOM 256 NZ LYS A 20 0.502 -19.029 1.366 1.00 0.00 N ATOM 0 H LYS A 20 3.591 -16.870 -4.365 1.00 0.00 H new ATOM 0 HA LYS A 20 1.270 -17.929 -3.246 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.714 -16.607 -2.330 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.338 -16.350 -1.276 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.288 -19.112 -2.095 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.929 -18.743 -1.604 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.823 -19.426 0.403 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.934 -17.681 0.520 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.632 -17.363 0.070 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.470 -18.905 -0.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.533 -18.961 1.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.785 -20.030 1.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.942 -18.535 2.169 1.00 0.00 H new ATOM 270 N GLN A 21 -0.141 -15.987 -2.259 1.00 0.00 N ATOM 271 CA GLN A 21 -1.196 -15.002 -2.096 1.00 0.00 C ATOM 272 C GLN A 21 -1.310 -14.583 -0.629 1.00 0.00 C ATOM 273 O GLN A 21 -1.001 -15.365 0.269 1.00 0.00 O ATOM 274 CB GLN A 21 -2.531 -15.537 -2.619 1.00 0.00 C ATOM 275 CG GLN A 21 -2.389 -16.061 -4.049 1.00 0.00 C ATOM 276 CD GLN A 21 -3.728 -16.582 -4.577 1.00 0.00 C ATOM 277 OE1 GLN A 21 -4.004 -17.770 -4.580 1.00 0.00 O ATOM 278 NE2 GLN A 21 -4.541 -15.628 -5.023 1.00 0.00 N ATOM 0 H GLN A 21 -0.162 -16.750 -1.583 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.939 -14.122 -2.685 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.886 -16.336 -1.969 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.280 -14.746 -2.590 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.023 -15.265 -4.697 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.648 -16.860 -4.076 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -4.247 -14.652 -4.991 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.458 -15.873 -5.396 1.00 0.00 H new ATOM 287 N VAL A 22 -1.753 -13.350 -0.431 1.00 0.00 N ATOM 288 CA VAL A 22 -1.911 -12.818 0.911 1.00 0.00 C ATOM 289 C VAL A 22 -3.167 -11.946 0.965 1.00 0.00 C ATOM 290 O VAL A 22 -3.694 -11.546 -0.072 1.00 0.00 O ATOM 291 CB VAL A 22 -0.645 -12.069 1.330 1.00 0.00 C ATOM 292 CG1 VAL A 22 -0.736 -11.609 2.786 1.00 0.00 C ATOM 293 CG2 VAL A 22 0.601 -12.928 1.103 1.00 0.00 C ATOM 0 H VAL A 22 -2.007 -12.704 -1.178 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.046 -13.627 1.629 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.559 -11.181 0.703 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.177 -11.079 3.058 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.591 -10.943 2.904 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.859 -12.476 3.435 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.487 -12.372 1.409 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.525 -13.842 1.692 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.680 -13.183 0.046 1.00 0.00 H new ATOM 303 N ASP A 23 -3.610 -11.676 2.184 1.00 0.00 N ATOM 304 CA ASP A 23 -4.794 -10.858 2.387 1.00 0.00 C ATOM 305 C ASP A 23 -4.370 -9.455 2.824 1.00 0.00 C ATOM 306 O ASP A 23 -3.477 -9.303 3.656 1.00 0.00 O ATOM 307 CB ASP A 23 -5.688 -11.445 3.481 1.00 0.00 C ATOM 308 CG ASP A 23 -4.992 -11.695 4.820 1.00 0.00 C ATOM 309 OD1 ASP A 23 -4.367 -12.770 4.943 1.00 0.00 O ATOM 310 OD2 ASP A 23 -5.100 -10.804 5.691 1.00 0.00 O ATOM 0 H ASP A 23 -3.170 -12.009 3.042 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.347 -10.826 1.448 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.527 -10.769 3.645 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.103 -12.387 3.123 1.00 0.00 H new ATOM 315 N ALA A 24 -5.032 -8.464 2.244 1.00 0.00 N ATOM 316 CA ALA A 24 -4.735 -7.078 2.564 1.00 0.00 C ATOM 317 C ALA A 24 -6.042 -6.286 2.643 1.00 0.00 C ATOM 318 O ALA A 24 -7.116 -6.828 2.389 1.00 0.00 O ATOM 319 CB ALA A 24 -3.770 -6.509 1.522 1.00 0.00 C ATOM 0 H ALA A 24 -5.773 -8.594 1.555 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.246 -7.004 3.535 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.547 -5.469 1.762 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.847 -7.088 1.526 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.228 -6.563 0.534 1.00 0.00 H new ATOM 325 N GLU A 25 -5.906 -5.016 2.995 1.00 0.00 N ATOM 326 CA GLU A 25 -7.063 -4.144 3.110 1.00 0.00 C ATOM 327 C GLU A 25 -6.761 -2.778 2.491 1.00 0.00 C ATOM 328 O GLU A 25 -5.786 -2.126 2.861 1.00 0.00 O ATOM 329 CB GLU A 25 -7.498 -4.001 4.570 1.00 0.00 C ATOM 330 CG GLU A 25 -8.288 -5.228 5.030 1.00 0.00 C ATOM 331 CD GLU A 25 -8.798 -5.047 6.461 1.00 0.00 C ATOM 332 OE1 GLU A 25 -9.854 -4.395 6.609 1.00 0.00 O ATOM 333 OE2 GLU A 25 -8.121 -5.565 7.374 1.00 0.00 O ATOM 0 H GLU A 25 -5.013 -4.570 3.204 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.890 -4.595 2.561 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.621 -3.871 5.203 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.110 -3.106 4.685 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.130 -5.395 4.358 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.655 -6.114 4.975 1.00 0.00 H new ATOM 340 N SER A 26 -7.617 -2.384 1.560 1.00 0.00 N ATOM 341 CA SER A 26 -7.454 -1.107 0.886 1.00 0.00 C ATOM 342 C SER A 26 -7.364 0.021 1.916 1.00 0.00 C ATOM 343 O SER A 26 -8.272 0.202 2.726 1.00 0.00 O ATOM 344 CB SER A 26 -8.607 -0.846 -0.086 1.00 0.00 C ATOM 345 OG SER A 26 -9.872 -1.160 0.490 1.00 0.00 O ATOM 0 H SER A 26 -8.426 -2.926 1.256 1.00 0.00 H new ATOM 0 HA SER A 26 -6.529 -1.140 0.311 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.596 0.201 -0.388 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.462 -1.440 -0.988 1.00 0.00 H new ATOM 0 HG SER A 26 -10.433 -0.356 0.506 1.00 0.00 H new ATOM 351 N TRP A 27 -6.259 0.750 1.853 1.00 0.00 N ATOM 352 CA TRP A 27 -6.038 1.854 2.771 1.00 0.00 C ATOM 353 C TRP A 27 -5.905 1.278 4.182 1.00 0.00 C ATOM 354 O TRP A 27 -6.416 1.852 5.141 1.00 0.00 O ATOM 355 CB TRP A 27 -7.152 2.896 2.653 1.00 0.00 C ATOM 356 CG TRP A 27 -7.610 3.159 1.217 1.00 0.00 C ATOM 357 CD1 TRP A 27 -8.671 2.643 0.582 1.00 0.00 C ATOM 358 CD2 TRP A 27 -6.974 4.029 0.258 1.00 0.00 C ATOM 359 NE1 TRP A 27 -8.765 3.114 -0.711 1.00 0.00 N ATOM 360 CE2 TRP A 27 -7.700 3.984 -0.915 1.00 0.00 C ATOM 361 CE3 TRP A 27 -5.822 4.827 0.376 1.00 0.00 C ATOM 362 CZ2 TRP A 27 -7.355 4.715 -2.058 1.00 0.00 C ATOM 363 CZ3 TRP A 27 -5.491 5.551 -0.775 1.00 0.00 C ATOM 364 CH2 TRP A 27 -6.212 5.517 -1.963 1.00 0.00 C ATOM 0 H TRP A 27 -5.507 0.597 1.180 1.00 0.00 H new ATOM 0 HA TRP A 27 -5.117 2.382 2.524 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -8.008 2.566 3.241 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -6.807 3.833 3.090 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -9.366 1.946 1.027 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -9.484 2.869 -1.392 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -5.239 4.877 1.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -7.940 4.663 -2.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.614 6.180 -0.738 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -5.892 6.107 -2.809 1.00 0.00 H new ATOM 375 N LYS A 28 -5.214 0.150 4.263 1.00 0.00 N ATOM 376 CA LYS A 28 -5.007 -0.511 5.540 1.00 0.00 C ATOM 377 C LYS A 28 -3.621 -1.159 5.555 1.00 0.00 C ATOM 378 O LYS A 28 -2.757 -0.766 6.337 1.00 0.00 O ATOM 379 CB LYS A 28 -6.147 -1.490 5.828 1.00 0.00 C ATOM 380 CG LYS A 28 -7.172 -0.873 6.782 1.00 0.00 C ATOM 381 CD LYS A 28 -7.916 -1.957 7.564 1.00 0.00 C ATOM 382 CE LYS A 28 -8.376 -1.433 8.926 1.00 0.00 C ATOM 383 NZ LYS A 28 -7.813 -2.259 10.017 1.00 0.00 N ATOM 0 H LYS A 28 -4.790 -0.323 3.465 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.029 0.215 6.353 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.636 -1.769 4.895 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.744 -2.405 6.263 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.669 -0.200 7.476 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.885 -0.273 6.217 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.779 -2.297 6.991 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.266 -2.821 7.703 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.062 -0.396 9.048 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.465 -1.445 8.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.135 -1.889 10.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.133 -3.243 9.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.774 -2.226 9.976 1.00 0.00 H new ATOM 397 N THR A 29 -3.453 -2.141 4.682 1.00 0.00 N ATOM 398 CA THR A 29 -2.187 -2.847 4.586 1.00 0.00 C ATOM 399 C THR A 29 -1.330 -2.256 3.464 1.00 0.00 C ATOM 400 O THR A 29 -1.856 -1.670 2.519 1.00 0.00 O ATOM 401 CB THR A 29 -2.489 -4.335 4.399 1.00 0.00 C ATOM 402 OG1 THR A 29 -3.170 -4.704 5.594 1.00 0.00 O ATOM 403 CG2 THR A 29 -1.223 -5.196 4.411 1.00 0.00 C ATOM 0 H THR A 29 -4.172 -2.464 4.035 1.00 0.00 H new ATOM 0 HA THR A 29 -1.600 -2.731 5.497 1.00 0.00 H new ATOM 0 HB THR A 29 -3.019 -4.482 3.458 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.405 -5.655 5.556 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.494 -6.243 4.275 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.563 -4.884 3.602 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.710 -5.075 5.365 1.00 0.00 H new ATOM 411 N THR A 30 -0.024 -2.429 3.606 1.00 0.00 N ATOM 412 CA THR A 30 0.910 -1.920 2.617 1.00 0.00 C ATOM 413 C THR A 30 1.788 -3.052 2.080 1.00 0.00 C ATOM 414 O THR A 30 1.724 -4.178 2.571 1.00 0.00 O ATOM 415 CB THR A 30 1.709 -0.785 3.261 1.00 0.00 C ATOM 416 OG1 THR A 30 2.846 -1.435 3.822 1.00 0.00 O ATOM 417 CG2 THR A 30 0.993 -0.178 4.470 1.00 0.00 C ATOM 0 H THR A 30 0.409 -2.915 4.391 1.00 0.00 H new ATOM 0 HA THR A 30 0.387 -1.517 1.750 1.00 0.00 H new ATOM 0 HB THR A 30 1.895 -0.007 2.521 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.653 -0.918 3.617 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.602 0.622 4.890 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.030 0.225 4.158 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.837 -0.949 5.225 1.00 0.00 H new ATOM 425 N PRO A 31 2.610 -2.705 1.054 1.00 0.00 N ATOM 426 CA PRO A 31 3.500 -3.678 0.445 1.00 0.00 C ATOM 427 C PRO A 31 4.698 -3.968 1.352 1.00 0.00 C ATOM 428 O PRO A 31 5.310 -5.031 1.258 1.00 0.00 O ATOM 429 CB PRO A 31 3.899 -3.068 -0.888 1.00 0.00 C ATOM 430 CG PRO A 31 3.594 -1.583 -0.775 1.00 0.00 C ATOM 431 CD PRO A 31 2.713 -1.380 0.448 1.00 0.00 C ATOM 0 HA PRO A 31 3.024 -4.647 0.297 1.00 0.00 H new ATOM 0 HB2 PRO A 31 4.956 -3.235 -1.093 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.340 -3.520 -1.707 1.00 0.00 H new ATOM 0 HG2 PRO A 31 4.516 -1.010 -0.680 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.089 -1.228 -1.673 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.154 -0.662 1.139 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.732 -0.994 0.170 1.00 0.00 H new ATOM 439 N TYR A 32 4.997 -3.004 2.210 1.00 0.00 N ATOM 440 CA TYR A 32 6.111 -3.142 3.133 1.00 0.00 C ATOM 441 C TYR A 32 5.797 -4.171 4.221 1.00 0.00 C ATOM 442 O TYR A 32 6.681 -4.906 4.658 1.00 0.00 O ATOM 443 CB TYR A 32 6.292 -1.769 3.784 1.00 0.00 C ATOM 444 CG TYR A 32 7.670 -1.557 4.415 1.00 0.00 C ATOM 445 CD1 TYR A 32 8.811 -1.774 3.671 1.00 0.00 C ATOM 446 CD2 TYR A 32 7.770 -1.149 5.730 1.00 0.00 C ATOM 447 CE1 TYR A 32 10.107 -1.574 4.265 1.00 0.00 C ATOM 448 CE2 TYR A 32 9.067 -0.949 6.324 1.00 0.00 C ATOM 449 CZ TYR A 32 10.171 -1.172 5.562 1.00 0.00 C ATOM 450 OH TYR A 32 11.395 -0.983 6.124 1.00 0.00 O ATOM 0 H TYR A 32 4.487 -2.124 2.286 1.00 0.00 H new ATOM 0 HA TYR A 32 7.005 -3.477 2.608 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.125 -0.997 3.033 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.528 -1.638 4.551 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.732 -2.094 2.643 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.877 -0.980 6.313 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.008 -1.740 3.693 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.160 -0.629 7.351 1.00 0.00 H new ATOM 0 HH TYR A 32 11.287 -0.695 7.055 1.00 0.00 H new ATOM 460 N GLN A 33 4.536 -4.191 4.626 1.00 0.00 N ATOM 461 CA GLN A 33 4.095 -5.118 5.654 1.00 0.00 C ATOM 462 C GLN A 33 4.016 -6.538 5.090 1.00 0.00 C ATOM 463 O GLN A 33 4.626 -7.459 5.631 1.00 0.00 O ATOM 464 CB GLN A 33 2.749 -4.686 6.241 1.00 0.00 C ATOM 465 CG GLN A 33 2.947 -3.823 7.489 1.00 0.00 C ATOM 466 CD GLN A 33 1.611 -3.278 7.997 1.00 0.00 C ATOM 467 OE1 GLN A 33 0.844 -3.959 8.657 1.00 0.00 O ATOM 468 NE2 GLN A 33 1.377 -2.015 7.652 1.00 0.00 N ATOM 0 H GLN A 33 3.805 -3.580 4.261 1.00 0.00 H new ATOM 0 HA GLN A 33 4.827 -5.109 6.462 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.185 -4.128 5.494 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.159 -5.567 6.493 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.424 -4.413 8.271 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.618 -2.995 7.260 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.063 -1.502 7.098 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.512 -1.559 7.942 1.00 0.00 H new ATOM 477 N ILE A 34 3.259 -6.671 4.011 1.00 0.00 N ATOM 478 CA ILE A 34 3.093 -7.963 3.368 1.00 0.00 C ATOM 479 C ILE A 34 4.433 -8.700 3.360 1.00 0.00 C ATOM 480 O ILE A 34 4.578 -9.740 4.001 1.00 0.00 O ATOM 481 CB ILE A 34 2.475 -7.794 1.978 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.077 -7.179 2.070 1.00 0.00 C ATOM 483 CG2 ILE A 34 2.468 -9.121 1.217 1.00 0.00 C ATOM 484 CD1 ILE A 34 0.097 -7.906 1.147 1.00 0.00 C ATOM 0 H ILE A 34 2.754 -5.905 3.566 1.00 0.00 H new ATOM 0 HA ILE A 34 2.393 -8.581 3.930 1.00 0.00 H new ATOM 0 HB ILE A 34 3.095 -7.100 1.411 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.720 -7.231 3.099 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.121 -6.124 1.801 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.024 -8.974 0.233 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.491 -9.481 1.103 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.885 -9.856 1.772 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.889 -7.449 1.231 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.444 -7.832 0.117 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.037 -8.956 1.435 1.00 0.00 H new ATOM 496 N ALA A 35 5.380 -8.133 2.627 1.00 0.00 N ATOM 497 CA ALA A 35 6.704 -8.723 2.527 1.00 0.00 C ATOM 498 C ALA A 35 7.198 -9.096 3.926 1.00 0.00 C ATOM 499 O ALA A 35 7.752 -10.176 4.125 1.00 0.00 O ATOM 500 CB ALA A 35 7.645 -7.748 1.817 1.00 0.00 C ATOM 0 H ALA A 35 5.256 -7.271 2.096 1.00 0.00 H new ATOM 0 HA ALA A 35 6.673 -9.637 1.934 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.638 -8.190 1.742 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.265 -7.538 0.817 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.703 -6.820 2.385 1.00 0.00 H new ATOM 506 N CYS A 36 6.980 -8.181 4.860 1.00 0.00 N ATOM 507 CA CYS A 36 7.396 -8.401 6.234 1.00 0.00 C ATOM 508 C CYS A 36 6.712 -9.670 6.747 1.00 0.00 C ATOM 509 O CYS A 36 7.366 -10.549 7.306 1.00 0.00 O ATOM 510 CB CYS A 36 7.090 -7.190 7.118 1.00 0.00 C ATOM 511 SG CYS A 36 8.647 -6.467 7.751 1.00 0.00 S ATOM 0 H CYS A 36 6.521 -7.286 4.691 1.00 0.00 H new ATOM 0 HA CYS A 36 8.477 -8.533 6.272 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.538 -6.443 6.547 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.453 -7.489 7.951 1.00 0.00 H new ATOM 0 HG CYS A 36 8.376 -5.438 8.498 1.00 0.00 H new ATOM 517 N GLY A 37 5.405 -9.725 6.537 1.00 0.00 N ATOM 518 CA GLY A 37 4.625 -10.871 6.971 1.00 0.00 C ATOM 519 C GLY A 37 5.357 -12.180 6.664 1.00 0.00 C ATOM 520 O GLY A 37 5.561 -13.005 7.553 1.00 0.00 O ATOM 0 H GLY A 37 4.867 -8.994 6.072 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.432 -10.800 8.042 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.656 -10.866 6.472 1.00 0.00 H new ATOM 524 N ILE A 38 5.731 -12.329 5.402 1.00 0.00 N ATOM 525 CA ILE A 38 6.436 -13.523 4.966 1.00 0.00 C ATOM 526 C ILE A 38 7.458 -13.924 6.031 1.00 0.00 C ATOM 527 O ILE A 38 7.274 -14.920 6.729 1.00 0.00 O ATOM 528 CB ILE A 38 7.044 -13.309 3.579 1.00 0.00 C ATOM 529 CG1 ILE A 38 5.968 -13.363 2.493 1.00 0.00 C ATOM 530 CG2 ILE A 38 8.174 -14.308 3.316 1.00 0.00 C ATOM 531 CD1 ILE A 38 5.609 -11.958 2.007 1.00 0.00 C ATOM 0 H ILE A 38 5.559 -11.643 4.667 1.00 0.00 H new ATOM 0 HA ILE A 38 5.743 -14.358 4.859 1.00 0.00 H new ATOM 0 HB ILE A 38 7.481 -12.311 3.549 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.322 -13.962 1.654 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.077 -13.856 2.883 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.589 -14.135 2.323 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.956 -14.178 4.064 1.00 0.00 H new ATOM 0 HG23 ILE A 38 7.782 -15.324 3.373 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.842 -12.025 1.235 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.232 -11.369 2.843 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.497 -11.477 1.596 1.00 0.00 H new ATOM 543 N SER A 39 8.513 -13.127 6.123 1.00 0.00 N ATOM 544 CA SER A 39 9.565 -13.386 7.091 1.00 0.00 C ATOM 545 C SER A 39 10.470 -12.160 7.221 1.00 0.00 C ATOM 546 O SER A 39 10.752 -11.484 6.233 1.00 0.00 O ATOM 547 CB SER A 39 10.387 -14.614 6.695 1.00 0.00 C ATOM 548 OG SER A 39 11.194 -15.086 7.771 1.00 0.00 O ATOM 0 H SER A 39 8.661 -12.301 5.543 1.00 0.00 H new ATOM 0 HA SER A 39 9.100 -13.589 8.056 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.717 -15.409 6.369 1.00 0.00 H new ATOM 0 HB3 SER A 39 11.024 -14.366 5.846 1.00 0.00 H new ATOM 0 HG SER A 39 11.702 -15.872 7.479 1.00 0.00 H new ATOM 554 N GLN A 40 10.901 -11.910 8.449 1.00 0.00 N ATOM 555 CA GLN A 40 11.769 -10.777 8.721 1.00 0.00 C ATOM 556 C GLN A 40 13.092 -10.929 7.968 1.00 0.00 C ATOM 557 O GLN A 40 13.904 -11.792 8.298 1.00 0.00 O ATOM 558 CB GLN A 40 12.009 -10.619 10.224 1.00 0.00 C ATOM 559 CG GLN A 40 12.425 -11.948 10.856 1.00 0.00 C ATOM 560 CD GLN A 40 11.442 -12.365 11.953 1.00 0.00 C ATOM 561 OE1 GLN A 40 10.295 -12.695 11.701 1.00 0.00 O ATOM 562 NE2 GLN A 40 11.954 -12.331 13.179 1.00 0.00 N ATOM 0 H GLN A 40 10.665 -12.473 9.266 1.00 0.00 H new ATOM 0 HA GLN A 40 11.274 -9.872 8.368 1.00 0.00 H new ATOM 0 HB2 GLN A 40 12.784 -9.872 10.395 1.00 0.00 H new ATOM 0 HB3 GLN A 40 11.102 -10.252 10.704 1.00 0.00 H new ATOM 0 HG2 GLN A 40 12.469 -12.721 10.089 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.427 -11.857 11.276 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.923 -12.045 13.319 1.00 0.00 H new ATOM 0 HE22 GLN A 40 11.378 -12.591 13.980 1.00 0.00 H new ATOM 571 N GLY A 41 13.269 -10.076 6.969 1.00 0.00 N ATOM 572 CA GLY A 41 14.480 -10.105 6.166 1.00 0.00 C ATOM 573 C GLY A 41 14.177 -9.763 4.706 1.00 0.00 C ATOM 574 O GLY A 41 14.923 -9.019 4.071 1.00 0.00 O ATOM 0 H GLY A 41 12.594 -9.361 6.698 1.00 0.00 H new ATOM 0 HA2 GLY A 41 15.204 -9.395 6.567 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.936 -11.093 6.225 1.00 0.00 H new ATOM 578 N LEU A 42 13.081 -10.323 4.215 1.00 0.00 N ATOM 579 CA LEU A 42 12.671 -10.087 2.841 1.00 0.00 C ATOM 580 C LEU A 42 12.547 -8.581 2.602 1.00 0.00 C ATOM 581 O LEU A 42 13.165 -8.041 1.686 1.00 0.00 O ATOM 582 CB LEU A 42 11.395 -10.868 2.522 1.00 0.00 C ATOM 583 CG LEU A 42 11.246 -11.348 1.076 1.00 0.00 C ATOM 584 CD1 LEU A 42 11.220 -10.166 0.106 1.00 0.00 C ATOM 585 CD2 LEU A 42 12.338 -12.359 0.720 1.00 0.00 C ATOM 0 H LEU A 42 12.464 -10.940 4.744 1.00 0.00 H new ATOM 0 HA LEU A 42 13.426 -10.458 2.148 1.00 0.00 H new ATOM 0 HB2 LEU A 42 11.351 -11.737 3.179 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.538 -10.240 2.766 1.00 0.00 H new ATOM 0 HG LEU A 42 10.289 -11.861 0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 42 11.113 -10.535 -0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.379 -9.516 0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.149 -9.603 0.193 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.210 -12.685 -0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 42 13.317 -11.893 0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 42 12.266 -13.221 1.384 1.00 0.00 H new ATOM 597 N ALA A 43 11.743 -7.945 3.442 1.00 0.00 N ATOM 598 CA ALA A 43 11.530 -6.512 3.334 1.00 0.00 C ATOM 599 C ALA A 43 12.875 -5.791 3.443 1.00 0.00 C ATOM 600 O ALA A 43 12.994 -4.629 3.058 1.00 0.00 O ATOM 601 CB ALA A 43 10.538 -6.061 4.408 1.00 0.00 C ATOM 0 H ALA A 43 11.231 -8.396 4.200 1.00 0.00 H new ATOM 0 HA ALA A 43 11.099 -6.260 2.365 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.378 -4.986 4.327 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.590 -6.580 4.269 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.938 -6.295 5.394 1.00 0.00 H new ATOM 607 N ASP A 44 13.855 -6.510 3.970 1.00 0.00 N ATOM 608 CA ASP A 44 15.187 -5.954 4.135 1.00 0.00 C ATOM 609 C ASP A 44 15.899 -5.938 2.781 1.00 0.00 C ATOM 610 O ASP A 44 16.758 -5.091 2.537 1.00 0.00 O ATOM 611 CB ASP A 44 16.022 -6.799 5.098 1.00 0.00 C ATOM 612 CG ASP A 44 16.942 -6.003 6.026 1.00 0.00 C ATOM 613 OD1 ASP A 44 16.398 -5.355 6.946 1.00 0.00 O ATOM 614 OD2 ASP A 44 18.169 -6.061 5.795 1.00 0.00 O ATOM 0 H ASP A 44 13.753 -7.474 4.289 1.00 0.00 H new ATOM 0 HA ASP A 44 15.084 -4.946 4.537 1.00 0.00 H new ATOM 0 HB2 ASP A 44 15.348 -7.400 5.708 1.00 0.00 H new ATOM 0 HB3 ASP A 44 16.629 -7.492 4.516 1.00 0.00 H new ATOM 619 N ASN A 45 15.517 -6.884 1.936 1.00 0.00 N ATOM 620 CA ASN A 45 16.108 -6.989 0.613 1.00 0.00 C ATOM 621 C ASN A 45 15.079 -6.564 -0.437 1.00 0.00 C ATOM 622 O ASN A 45 14.666 -7.370 -1.269 1.00 0.00 O ATOM 623 CB ASN A 45 16.525 -8.430 0.309 1.00 0.00 C ATOM 624 CG ASN A 45 17.775 -8.818 1.101 1.00 0.00 C ATOM 625 OD1 ASN A 45 17.708 -9.413 2.164 1.00 0.00 O ATOM 626 ND2 ASN A 45 18.916 -8.448 0.527 1.00 0.00 N ATOM 0 H ASN A 45 14.805 -7.585 2.142 1.00 0.00 H new ATOM 0 HA ASN A 45 16.987 -6.345 0.585 1.00 0.00 H new ATOM 0 HB2 ASN A 45 15.708 -9.108 0.556 1.00 0.00 H new ATOM 0 HB3 ASN A 45 16.718 -8.539 -0.758 1.00 0.00 H new ATOM 0 HD21 ASN A 45 19.806 -8.660 0.978 1.00 0.00 H new ATOM 0 HD22 ASN A 45 18.901 -7.952 -0.364 1.00 0.00 H new ATOM 633 N THR A 46 14.696 -5.298 -0.363 1.00 0.00 N ATOM 634 CA THR A 46 13.723 -4.755 -1.296 1.00 0.00 C ATOM 635 C THR A 46 14.020 -3.281 -1.580 1.00 0.00 C ATOM 636 O THR A 46 14.785 -2.648 -0.854 1.00 0.00 O ATOM 637 CB THR A 46 12.327 -4.993 -0.716 1.00 0.00 C ATOM 638 OG1 THR A 46 12.069 -6.368 -0.984 1.00 0.00 O ATOM 639 CG2 THR A 46 11.237 -4.251 -1.491 1.00 0.00 C ATOM 0 H THR A 46 15.042 -4.633 0.328 1.00 0.00 H new ATOM 0 HA THR A 46 13.779 -5.257 -2.262 1.00 0.00 H new ATOM 0 HB THR A 46 12.309 -4.678 0.327 1.00 0.00 H new ATOM 0 HG1 THR A 46 12.403 -6.914 -0.242 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.266 -4.454 -1.038 1.00 0.00 H new ATOM 0 HG22 THR A 46 11.435 -3.179 -1.461 1.00 0.00 H new ATOM 0 HG23 THR A 46 11.232 -4.590 -2.527 1.00 0.00 H new ATOM 647 N VAL A 47 13.400 -2.778 -2.637 1.00 0.00 N ATOM 648 CA VAL A 47 13.589 -1.391 -3.026 1.00 0.00 C ATOM 649 C VAL A 47 12.223 -0.716 -3.171 1.00 0.00 C ATOM 650 O VAL A 47 11.756 -0.047 -2.251 1.00 0.00 O ATOM 651 CB VAL A 47 14.432 -1.314 -4.300 1.00 0.00 C ATOM 652 CG1 VAL A 47 15.900 -1.037 -3.970 1.00 0.00 C ATOM 653 CG2 VAL A 47 14.289 -2.591 -5.130 1.00 0.00 C ATOM 0 H VAL A 47 12.766 -3.306 -3.236 1.00 0.00 H new ATOM 0 HA VAL A 47 14.139 -0.850 -2.256 1.00 0.00 H new ATOM 0 HB VAL A 47 14.060 -0.482 -4.898 1.00 0.00 H new ATOM 0 HG11 VAL A 47 16.477 -0.987 -4.893 1.00 0.00 H new ATOM 0 HG12 VAL A 47 15.981 -0.088 -3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 47 16.289 -1.838 -3.342 1.00 0.00 H new ATOM 0 HG21 VAL A 47 14.898 -2.510 -6.030 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.622 -3.446 -4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 47 13.245 -2.728 -5.410 1.00 0.00 H new ATOM 663 N ILE A 48 11.622 -0.916 -4.335 1.00 0.00 N ATOM 664 CA ILE A 48 10.319 -0.335 -4.612 1.00 0.00 C ATOM 665 C ILE A 48 9.318 -1.455 -4.903 1.00 0.00 C ATOM 666 O ILE A 48 9.596 -2.350 -5.699 1.00 0.00 O ATOM 667 CB ILE A 48 10.423 0.703 -5.732 1.00 0.00 C ATOM 668 CG1 ILE A 48 10.942 2.038 -5.195 1.00 0.00 C ATOM 669 CG2 ILE A 48 9.086 0.859 -6.460 1.00 0.00 C ATOM 670 CD1 ILE A 48 9.921 2.686 -4.256 1.00 0.00 C ATOM 0 H ILE A 48 12.013 -1.471 -5.096 1.00 0.00 H new ATOM 0 HA ILE A 48 9.949 0.205 -3.741 1.00 0.00 H new ATOM 0 HB ILE A 48 11.148 0.346 -6.463 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.881 1.880 -4.664 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.155 2.710 -6.026 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.187 1.602 -7.251 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.795 -0.097 -6.895 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.322 1.183 -5.753 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.315 3.634 -3.888 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.992 2.865 -4.797 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.729 2.022 -3.413 1.00 0.00 H new ATOM 682 N ALA A 49 8.173 -1.368 -4.241 1.00 0.00 N ATOM 683 CA ALA A 49 7.129 -2.363 -4.419 1.00 0.00 C ATOM 684 C ALA A 49 6.191 -1.917 -5.543 1.00 0.00 C ATOM 685 O ALA A 49 5.780 -0.759 -5.590 1.00 0.00 O ATOM 686 CB ALA A 49 6.393 -2.573 -3.094 1.00 0.00 C ATOM 0 H ALA A 49 7.946 -0.624 -3.581 1.00 0.00 H new ATOM 0 HA ALA A 49 7.558 -3.322 -4.709 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.610 -3.319 -3.227 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.098 -2.917 -2.337 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.947 -1.632 -2.773 1.00 0.00 H new ATOM 692 N LYS A 50 5.880 -2.860 -6.420 1.00 0.00 N ATOM 693 CA LYS A 50 4.998 -2.579 -7.540 1.00 0.00 C ATOM 694 C LYS A 50 3.590 -3.080 -7.213 1.00 0.00 C ATOM 695 O LYS A 50 3.413 -4.232 -6.820 1.00 0.00 O ATOM 696 CB LYS A 50 5.573 -3.160 -8.833 1.00 0.00 C ATOM 697 CG LYS A 50 6.574 -2.194 -9.471 1.00 0.00 C ATOM 698 CD LYS A 50 7.107 -2.751 -10.793 1.00 0.00 C ATOM 699 CE LYS A 50 7.782 -1.653 -11.617 1.00 0.00 C ATOM 700 NZ LYS A 50 9.218 -1.957 -11.809 1.00 0.00 N ATOM 0 H LYS A 50 6.223 -3.820 -6.378 1.00 0.00 H new ATOM 0 HA LYS A 50 4.923 -1.504 -7.706 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.063 -4.110 -8.622 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.764 -3.367 -9.534 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.095 -1.231 -9.645 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.403 -2.019 -8.785 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.820 -3.551 -10.594 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.288 -3.188 -11.364 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.291 -1.563 -12.586 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.672 -0.693 -11.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.784 -1.113 -11.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.495 -2.736 -11.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.385 -2.236 -12.797 1.00 0.00 H new ATOM 714 N VAL A 51 2.624 -2.190 -7.389 1.00 0.00 N ATOM 715 CA VAL A 51 1.237 -2.528 -7.118 1.00 0.00 C ATOM 716 C VAL A 51 0.448 -2.512 -8.428 1.00 0.00 C ATOM 717 O VAL A 51 0.029 -1.452 -8.892 1.00 0.00 O ATOM 718 CB VAL A 51 0.665 -1.579 -6.063 1.00 0.00 C ATOM 719 CG1 VAL A 51 -0.858 -1.703 -5.983 1.00 0.00 C ATOM 720 CG2 VAL A 51 1.307 -1.825 -4.697 1.00 0.00 C ATOM 0 H VAL A 51 2.775 -1.236 -7.716 1.00 0.00 H new ATOM 0 HA VAL A 51 1.162 -3.534 -6.706 1.00 0.00 H new ATOM 0 HB VAL A 51 0.903 -0.559 -6.366 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.240 -1.018 -5.226 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.295 -1.454 -6.950 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.126 -2.725 -5.716 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.882 -1.137 -3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.115 -2.851 -4.384 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.383 -1.662 -4.766 1.00 0.00 H new ATOM 730 N ASN A 52 0.268 -3.699 -8.988 1.00 0.00 N ATOM 731 CA ASN A 52 -0.464 -3.836 -10.235 1.00 0.00 C ATOM 732 C ASN A 52 0.447 -3.448 -11.401 1.00 0.00 C ATOM 733 O ASN A 52 -0.020 -2.931 -12.414 1.00 0.00 O ATOM 734 CB ASN A 52 -1.684 -2.912 -10.262 1.00 0.00 C ATOM 735 CG ASN A 52 -2.888 -3.612 -10.895 1.00 0.00 C ATOM 736 OD1 ASN A 52 -3.517 -3.113 -11.813 1.00 0.00 O ATOM 737 ND2 ASN A 52 -3.173 -4.793 -10.354 1.00 0.00 N ATOM 0 H ASN A 52 0.617 -4.576 -8.600 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.793 -4.872 -10.321 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.932 -2.601 -9.247 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.448 -2.008 -10.823 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.959 -5.339 -10.706 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.605 -5.153 -9.587 1.00 0.00 H new ATOM 744 N ASN A 53 1.733 -3.714 -11.220 1.00 0.00 N ATOM 745 CA ASN A 53 2.714 -3.400 -12.244 1.00 0.00 C ATOM 746 C ASN A 53 2.996 -1.896 -12.230 1.00 0.00 C ATOM 747 O ASN A 53 3.538 -1.354 -13.192 1.00 0.00 O ATOM 748 CB ASN A 53 2.197 -3.772 -13.635 1.00 0.00 C ATOM 749 CG ASN A 53 1.525 -5.146 -13.621 1.00 0.00 C ATOM 750 OD1 ASN A 53 2.084 -6.134 -13.172 1.00 0.00 O ATOM 751 ND2 ASN A 53 0.300 -5.155 -14.137 1.00 0.00 N ATOM 0 H ASN A 53 2.118 -4.144 -10.379 1.00 0.00 H new ATOM 0 HA ASN A 53 3.618 -3.971 -12.031 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.486 -3.019 -13.976 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.024 -3.775 -14.345 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -0.231 -6.025 -14.174 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.109 -4.292 -14.496 1.00 0.00 H new ATOM 758 N VAL A 54 2.614 -1.265 -11.129 1.00 0.00 N ATOM 759 CA VAL A 54 2.819 0.165 -10.978 1.00 0.00 C ATOM 760 C VAL A 54 3.621 0.429 -9.702 1.00 0.00 C ATOM 761 O VAL A 54 3.352 -0.168 -8.661 1.00 0.00 O ATOM 762 CB VAL A 54 1.473 0.892 -10.999 1.00 0.00 C ATOM 763 CG1 VAL A 54 0.394 0.027 -11.654 1.00 0.00 C ATOM 764 CG2 VAL A 54 1.056 1.315 -9.589 1.00 0.00 C ATOM 0 H VAL A 54 2.164 -1.718 -10.334 1.00 0.00 H new ATOM 0 HA VAL A 54 3.398 0.558 -11.813 1.00 0.00 H new ATOM 0 HB VAL A 54 1.589 1.795 -11.598 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.553 0.567 -11.656 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.684 -0.202 -12.680 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.281 -0.901 -11.093 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.096 1.830 -9.632 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.966 0.432 -8.956 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.808 1.985 -9.173 1.00 0.00 H new ATOM 774 N VAL A 55 4.590 1.325 -9.824 1.00 0.00 N ATOM 775 CA VAL A 55 5.432 1.675 -8.694 1.00 0.00 C ATOM 776 C VAL A 55 4.549 2.062 -7.506 1.00 0.00 C ATOM 777 O VAL A 55 3.632 2.869 -7.647 1.00 0.00 O ATOM 778 CB VAL A 55 6.414 2.778 -9.094 1.00 0.00 C ATOM 779 CG1 VAL A 55 7.069 3.403 -7.861 1.00 0.00 C ATOM 780 CG2 VAL A 55 7.469 2.247 -10.066 1.00 0.00 C ATOM 0 H VAL A 55 4.810 1.819 -10.689 1.00 0.00 H new ATOM 0 HA VAL A 55 6.033 0.819 -8.387 1.00 0.00 H new ATOM 0 HB VAL A 55 5.851 3.558 -9.605 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.762 4.184 -8.174 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.300 3.835 -7.220 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.612 2.636 -7.309 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.154 3.051 -10.334 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.026 1.439 -9.592 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.980 1.872 -10.965 1.00 0.00 H new ATOM 790 N TRP A 56 4.858 1.469 -6.362 1.00 0.00 N ATOM 791 CA TRP A 56 4.104 1.742 -5.150 1.00 0.00 C ATOM 792 C TRP A 56 5.095 1.839 -3.988 1.00 0.00 C ATOM 793 O TRP A 56 5.919 0.947 -3.795 1.00 0.00 O ATOM 794 CB TRP A 56 3.022 0.683 -4.927 1.00 0.00 C ATOM 795 CG TRP A 56 1.768 1.212 -4.228 1.00 0.00 C ATOM 796 CD1 TRP A 56 1.512 1.252 -2.913 1.00 0.00 C ATOM 797 CD2 TRP A 56 0.603 1.778 -4.864 1.00 0.00 C ATOM 798 NE1 TRP A 56 0.271 1.800 -2.657 1.00 0.00 N ATOM 799 CE2 TRP A 56 -0.298 2.130 -3.881 1.00 0.00 C ATOM 800 CE3 TRP A 56 0.321 1.985 -6.226 1.00 0.00 C ATOM 801 CZ2 TRP A 56 -1.543 2.711 -4.154 1.00 0.00 C ATOM 802 CZ3 TRP A 56 -0.927 2.567 -6.483 1.00 0.00 C ATOM 803 CH2 TRP A 56 -1.846 2.927 -5.504 1.00 0.00 C ATOM 0 H TRP A 56 5.620 0.801 -6.249 1.00 0.00 H new ATOM 0 HA TRP A 56 3.571 2.689 -5.232 1.00 0.00 H new ATOM 0 HB2 TRP A 56 2.737 0.261 -5.891 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.441 -0.130 -4.334 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.191 0.900 -2.150 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -0.151 1.937 -1.738 1.00 0.00 H new ATOM 0 HE3 TRP A 56 1.012 1.717 -7.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -2.232 2.978 -3.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -1.194 2.749 -7.514 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.790 3.371 -5.783 1.00 0.00 H new ATOM 814 N ASP A 57 4.981 2.930 -3.245 1.00 0.00 N ATOM 815 CA ASP A 57 5.856 3.155 -2.107 1.00 0.00 C ATOM 816 C ASP A 57 5.553 2.119 -1.023 1.00 0.00 C ATOM 817 O ASP A 57 4.414 1.675 -0.885 1.00 0.00 O ATOM 818 CB ASP A 57 5.635 4.545 -1.508 1.00 0.00 C ATOM 819 CG ASP A 57 6.328 5.688 -2.252 1.00 0.00 C ATOM 820 OD1 ASP A 57 6.633 5.484 -3.447 1.00 0.00 O ATOM 821 OD2 ASP A 57 6.538 6.739 -1.609 1.00 0.00 O ATOM 0 H ASP A 57 4.296 3.668 -3.409 1.00 0.00 H new ATOM 0 HA ASP A 57 6.886 3.071 -2.453 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.564 4.746 -1.481 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.985 4.539 -0.476 1.00 0.00 H new ATOM 826 N LEU A 58 6.592 1.764 -0.281 1.00 0.00 N ATOM 827 CA LEU A 58 6.451 0.788 0.786 1.00 0.00 C ATOM 828 C LEU A 58 5.620 1.395 1.919 1.00 0.00 C ATOM 829 O LEU A 58 4.788 0.715 2.517 1.00 0.00 O ATOM 830 CB LEU A 58 7.823 0.281 1.234 1.00 0.00 C ATOM 831 CG LEU A 58 8.791 -0.109 0.115 1.00 0.00 C ATOM 832 CD1 LEU A 58 10.241 -0.053 0.600 1.00 0.00 C ATOM 833 CD2 LEU A 58 8.434 -1.478 -0.467 1.00 0.00 C ATOM 0 H LEU A 58 7.535 2.135 -0.398 1.00 0.00 H new ATOM 0 HA LEU A 58 5.913 -0.091 0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.293 1.054 1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.676 -0.586 1.879 1.00 0.00 H new ATOM 0 HG LEU A 58 8.692 0.619 -0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.908 -0.335 -0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.476 0.960 0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.373 -0.744 1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.138 -1.731 -1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.486 -2.232 0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.423 -1.448 -0.874 1.00 0.00 H new ATOM 845 N ASP A 59 5.876 2.669 2.180 1.00 0.00 N ATOM 846 CA ASP A 59 5.162 3.375 3.231 1.00 0.00 C ATOM 847 C ASP A 59 3.835 3.897 2.678 1.00 0.00 C ATOM 848 O ASP A 59 3.517 5.076 2.827 1.00 0.00 O ATOM 849 CB ASP A 59 5.969 4.574 3.735 1.00 0.00 C ATOM 850 CG ASP A 59 5.626 5.033 5.153 1.00 0.00 C ATOM 851 OD1 ASP A 59 5.973 4.284 6.092 1.00 0.00 O ATOM 852 OD2 ASP A 59 5.025 6.123 5.267 1.00 0.00 O ATOM 0 H ASP A 59 6.567 3.230 1.682 1.00 0.00 H new ATOM 0 HA ASP A 59 4.998 2.679 4.054 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.029 4.322 3.697 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.816 5.409 3.052 1.00 0.00 H new ATOM 857 N ARG A 60 3.096 2.994 2.050 1.00 0.00 N ATOM 858 CA ARG A 60 1.810 3.349 1.474 1.00 0.00 C ATOM 859 C ARG A 60 0.941 2.101 1.305 1.00 0.00 C ATOM 860 O ARG A 60 1.386 1.102 0.742 1.00 0.00 O ATOM 861 CB ARG A 60 1.984 4.028 0.114 1.00 0.00 C ATOM 862 CG ARG A 60 0.658 4.603 -0.386 1.00 0.00 C ATOM 863 CD ARG A 60 0.875 5.509 -1.600 1.00 0.00 C ATOM 864 NE ARG A 60 0.211 6.813 -1.384 1.00 0.00 N ATOM 865 CZ ARG A 60 0.769 7.841 -0.730 1.00 0.00 C ATOM 866 NH1 ARG A 60 2.004 7.722 -0.224 1.00 0.00 N ATOM 867 NH2 ARG A 60 0.091 8.988 -0.582 1.00 0.00 N ATOM 0 H ARG A 60 3.363 2.017 1.927 1.00 0.00 H new ATOM 0 HA ARG A 60 1.323 4.046 2.156 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.723 4.825 0.194 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.368 3.308 -0.609 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.018 3.790 -0.651 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.179 5.169 0.413 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.942 5.658 -1.767 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.476 5.033 -2.496 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.730 6.938 -1.756 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.519 6.849 -0.337 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.429 8.504 0.274 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.849 9.078 -0.967 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.515 9.771 -0.084 1.00 0.00 H new ATOM 881 N PRO A 61 -0.315 2.202 1.817 1.00 0.00 N ATOM 882 CA PRO A 61 -1.250 1.093 1.728 1.00 0.00 C ATOM 883 C PRO A 61 -1.802 0.954 0.308 1.00 0.00 C ATOM 884 O PRO A 61 -1.963 1.947 -0.400 1.00 0.00 O ATOM 885 CB PRO A 61 -2.326 1.404 2.756 1.00 0.00 C ATOM 886 CG PRO A 61 -2.205 2.890 3.051 1.00 0.00 C ATOM 887 CD PRO A 61 -0.876 3.369 2.490 1.00 0.00 C ATOM 0 HA PRO A 61 -0.783 0.131 1.937 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.316 1.162 2.370 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.184 0.813 3.661 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.031 3.438 2.597 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.254 3.071 4.125 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.015 4.198 1.796 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.217 3.724 3.282 1.00 0.00 H new ATOM 895 N LEU A 62 -2.077 -0.287 -0.066 1.00 0.00 N ATOM 896 CA LEU A 62 -2.608 -0.570 -1.389 1.00 0.00 C ATOM 897 C LEU A 62 -3.941 0.160 -1.565 1.00 0.00 C ATOM 898 O LEU A 62 -4.378 0.886 -0.674 1.00 0.00 O ATOM 899 CB LEU A 62 -2.698 -2.080 -1.619 1.00 0.00 C ATOM 900 CG LEU A 62 -1.453 -2.890 -1.252 1.00 0.00 C ATOM 901 CD1 LEU A 62 -0.177 -2.103 -1.558 1.00 0.00 C ATOM 902 CD2 LEU A 62 -1.507 -3.348 0.207 1.00 0.00 C ATOM 0 H LEU A 62 -1.942 -1.108 0.524 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.934 -0.194 -2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.540 -2.465 -1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.923 -2.254 -2.671 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.435 -3.787 -1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.693 -2.701 -1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.140 -1.869 -2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.174 -1.177 -0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.610 -3.922 0.442 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.562 -2.477 0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.387 -3.972 0.360 1.00 0.00 H new ATOM 914 N GLU A 63 -4.550 -0.058 -2.722 1.00 0.00 N ATOM 915 CA GLU A 63 -5.825 0.569 -3.026 1.00 0.00 C ATOM 916 C GLU A 63 -6.910 -0.494 -3.207 1.00 0.00 C ATOM 917 O GLU A 63 -8.062 -0.280 -2.832 1.00 0.00 O ATOM 918 CB GLU A 63 -5.715 1.458 -4.267 1.00 0.00 C ATOM 919 CG GLU A 63 -5.102 2.815 -3.917 1.00 0.00 C ATOM 920 CD GLU A 63 -5.830 3.949 -4.640 1.00 0.00 C ATOM 921 OE1 GLU A 63 -7.063 3.819 -4.804 1.00 0.00 O ATOM 922 OE2 GLU A 63 -5.139 4.921 -5.014 1.00 0.00 O ATOM 0 H GLU A 63 -4.184 -0.660 -3.460 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.105 1.205 -2.186 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.103 0.962 -5.021 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.703 1.603 -4.703 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.153 2.974 -2.840 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.047 2.823 -4.191 1.00 0.00 H new ATOM 929 N GLU A 64 -6.504 -1.616 -3.782 1.00 0.00 N ATOM 930 CA GLU A 64 -7.428 -2.713 -4.018 1.00 0.00 C ATOM 931 C GLU A 64 -6.669 -3.953 -4.493 1.00 0.00 C ATOM 932 O GLU A 64 -5.440 -3.952 -4.543 1.00 0.00 O ATOM 933 CB GLU A 64 -8.510 -2.313 -5.023 1.00 0.00 C ATOM 934 CG GLU A 64 -7.903 -2.035 -6.400 1.00 0.00 C ATOM 935 CD GLU A 64 -8.910 -1.331 -7.311 1.00 0.00 C ATOM 936 OE1 GLU A 64 -8.964 -0.084 -7.242 1.00 0.00 O ATOM 937 OE2 GLU A 64 -9.604 -2.055 -8.056 1.00 0.00 O ATOM 0 H GLU A 64 -5.548 -1.790 -4.092 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.924 -2.953 -3.078 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.250 -3.109 -5.102 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.033 -1.426 -4.666 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.012 -1.417 -6.291 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.586 -2.972 -6.858 1.00 0.00 H new ATOM 944 N ASP A 65 -7.433 -4.982 -4.831 1.00 0.00 N ATOM 945 CA ASP A 65 -6.848 -6.226 -5.301 1.00 0.00 C ATOM 946 C ASP A 65 -5.812 -5.920 -6.385 1.00 0.00 C ATOM 947 O ASP A 65 -6.161 -5.455 -7.469 1.00 0.00 O ATOM 948 CB ASP A 65 -7.913 -7.140 -5.910 1.00 0.00 C ATOM 949 CG ASP A 65 -8.895 -6.448 -6.856 1.00 0.00 C ATOM 950 OD1 ASP A 65 -9.895 -5.905 -6.339 1.00 0.00 O ATOM 951 OD2 ASP A 65 -8.624 -6.476 -8.076 1.00 0.00 O ATOM 0 H ASP A 65 -8.452 -4.979 -4.789 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.389 -6.726 -4.448 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.414 -7.943 -6.453 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.477 -7.604 -5.101 1.00 0.00 H new ATOM 956 N CYS A 66 -4.558 -6.193 -6.055 1.00 0.00 N ATOM 957 CA CYS A 66 -3.470 -5.953 -6.986 1.00 0.00 C ATOM 958 C CYS A 66 -2.342 -6.938 -6.672 1.00 0.00 C ATOM 959 O CYS A 66 -2.467 -7.762 -5.767 1.00 0.00 O ATOM 960 CB CYS A 66 -2.990 -4.501 -6.933 1.00 0.00 C ATOM 961 SG CYS A 66 -2.724 -3.993 -5.196 1.00 0.00 S ATOM 0 H CYS A 66 -4.272 -6.578 -5.155 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.819 -6.115 -8.006 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.064 -4.395 -7.498 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.726 -3.849 -7.403 1.00 0.00 H new ATOM 0 HG CYS A 66 -3.873 -3.820 -4.613 1.00 0.00 H new ATOM 967 N THR A 67 -1.267 -6.822 -7.437 1.00 0.00 N ATOM 968 CA THR A 67 -0.118 -7.692 -7.252 1.00 0.00 C ATOM 969 C THR A 67 1.015 -6.938 -6.553 1.00 0.00 C ATOM 970 O THR A 67 1.150 -5.726 -6.713 1.00 0.00 O ATOM 971 CB THR A 67 0.277 -8.251 -8.620 1.00 0.00 C ATOM 972 OG1 THR A 67 0.158 -7.135 -9.498 1.00 0.00 O ATOM 973 CG2 THR A 67 -0.740 -9.259 -9.157 1.00 0.00 C ATOM 0 H THR A 67 -1.167 -6.138 -8.187 1.00 0.00 H new ATOM 0 HA THR A 67 -0.358 -8.531 -6.599 1.00 0.00 H new ATOM 0 HB THR A 67 1.255 -8.727 -8.549 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.398 -7.408 -10.408 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.411 -9.624 -10.130 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.823 -10.096 -8.464 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.712 -8.776 -9.260 1.00 0.00 H new ATOM 981 N LEU A 68 1.800 -7.687 -5.792 1.00 0.00 N ATOM 982 CA LEU A 68 2.917 -7.104 -5.068 1.00 0.00 C ATOM 983 C LEU A 68 4.227 -7.679 -5.611 1.00 0.00 C ATOM 984 O LEU A 68 4.429 -8.892 -5.597 1.00 0.00 O ATOM 985 CB LEU A 68 2.738 -7.299 -3.561 1.00 0.00 C ATOM 986 CG LEU A 68 3.904 -6.840 -2.683 1.00 0.00 C ATOM 987 CD1 LEU A 68 4.359 -5.431 -3.067 1.00 0.00 C ATOM 988 CD2 LEU A 68 3.546 -6.942 -1.199 1.00 0.00 C ATOM 0 H LEU A 68 1.685 -8.692 -5.661 1.00 0.00 H new ATOM 0 HA LEU A 68 2.952 -6.026 -5.225 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.841 -6.763 -3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.560 -8.357 -3.370 1.00 0.00 H new ATOM 0 HG LEU A 68 4.747 -7.509 -2.858 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.189 -5.130 -2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.682 -5.424 -4.108 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.531 -4.734 -2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.392 -6.610 -0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.682 -6.312 -0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.309 -7.977 -0.952 1.00 0.00 H new ATOM 1000 N GLU A 69 5.082 -6.781 -6.077 1.00 0.00 N ATOM 1001 CA GLU A 69 6.367 -7.183 -6.624 1.00 0.00 C ATOM 1002 C GLU A 69 7.490 -6.342 -6.015 1.00 0.00 C ATOM 1003 O GLU A 69 7.606 -5.152 -6.304 1.00 0.00 O ATOM 1004 CB GLU A 69 6.370 -7.080 -8.150 1.00 0.00 C ATOM 1005 CG GLU A 69 7.771 -7.326 -8.714 1.00 0.00 C ATOM 1006 CD GLU A 69 8.100 -8.820 -8.732 1.00 0.00 C ATOM 1007 OE1 GLU A 69 7.290 -9.572 -9.315 1.00 0.00 O ATOM 1008 OE2 GLU A 69 9.154 -9.175 -8.161 1.00 0.00 O ATOM 0 H GLU A 69 4.910 -5.776 -6.087 1.00 0.00 H new ATOM 0 HA GLU A 69 6.540 -8.227 -6.363 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.673 -7.806 -8.568 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.021 -6.093 -8.452 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.836 -6.923 -9.725 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.508 -6.795 -8.112 1.00 0.00 H new ATOM 1015 N LEU A 70 8.289 -6.993 -5.183 1.00 0.00 N ATOM 1016 CA LEU A 70 9.399 -6.320 -4.530 1.00 0.00 C ATOM 1017 C LEU A 70 10.600 -6.289 -5.479 1.00 0.00 C ATOM 1018 O LEU A 70 11.081 -7.336 -5.910 1.00 0.00 O ATOM 1019 CB LEU A 70 9.700 -6.969 -3.178 1.00 0.00 C ATOM 1020 CG LEU A 70 8.557 -6.963 -2.162 1.00 0.00 C ATOM 1021 CD1 LEU A 70 8.161 -5.532 -1.791 1.00 0.00 C ATOM 1022 CD2 LEU A 70 7.364 -7.773 -2.673 1.00 0.00 C ATOM 0 H LEU A 70 8.190 -7.980 -4.946 1.00 0.00 H new ATOM 0 HA LEU A 70 9.140 -5.285 -4.309 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.999 -8.003 -3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.556 -6.459 -2.735 1.00 0.00 H new ATOM 0 HG LEU A 70 8.908 -7.447 -1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.346 -5.556 -1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.018 -5.019 -1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.836 -5.001 -2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.566 -7.752 -1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.004 -7.341 -3.606 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.672 -8.804 -2.846 1.00 0.00 H new ATOM 1034 N LEU A 71 11.049 -5.078 -5.775 1.00 0.00 N ATOM 1035 CA LEU A 71 12.183 -4.898 -6.664 1.00 0.00 C ATOM 1036 C LEU A 71 13.474 -5.221 -5.909 1.00 0.00 C ATOM 1037 O LEU A 71 13.530 -5.094 -4.686 1.00 0.00 O ATOM 1038 CB LEU A 71 12.165 -3.497 -7.278 1.00 0.00 C ATOM 1039 CG LEU A 71 11.235 -3.302 -8.478 1.00 0.00 C ATOM 1040 CD1 LEU A 71 10.094 -4.321 -8.457 1.00 0.00 C ATOM 1041 CD2 LEU A 71 10.718 -1.864 -8.544 1.00 0.00 C ATOM 0 H LEU A 71 10.648 -4.212 -5.415 1.00 0.00 H new ATOM 0 HA LEU A 71 12.122 -5.590 -7.504 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.879 -2.786 -6.503 1.00 0.00 H new ATOM 0 HB3 LEU A 71 13.180 -3.243 -7.585 1.00 0.00 H new ATOM 0 HG LEU A 71 11.809 -3.479 -9.388 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.448 -4.161 -9.320 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.506 -5.329 -8.494 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.514 -4.199 -7.542 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.060 -1.753 -9.406 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.165 -1.634 -7.633 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.560 -1.179 -8.640 1.00 0.00 H new ATOM 1053 N LYS A 72 14.479 -5.632 -6.668 1.00 0.00 N ATOM 1054 CA LYS A 72 15.766 -5.974 -6.085 1.00 0.00 C ATOM 1055 C LYS A 72 16.599 -4.702 -5.917 1.00 0.00 C ATOM 1056 O LYS A 72 17.393 -4.595 -4.984 1.00 0.00 O ATOM 1057 CB LYS A 72 16.458 -7.058 -6.914 1.00 0.00 C ATOM 1058 CG LYS A 72 16.640 -6.607 -8.364 1.00 0.00 C ATOM 1059 CD LYS A 72 15.686 -7.356 -9.296 1.00 0.00 C ATOM 1060 CE LYS A 72 16.160 -7.272 -10.749 1.00 0.00 C ATOM 1061 NZ LYS A 72 15.030 -6.933 -11.643 1.00 0.00 N ATOM 0 H LYS A 72 14.429 -5.736 -7.681 1.00 0.00 H new ATOM 0 HA LYS A 72 15.633 -6.401 -5.091 1.00 0.00 H new ATOM 0 HB2 LYS A 72 17.429 -7.290 -6.477 1.00 0.00 H new ATOM 0 HB3 LYS A 72 15.868 -7.974 -6.886 1.00 0.00 H new ATOM 0 HG2 LYS A 72 16.461 -5.535 -8.440 1.00 0.00 H new ATOM 0 HG3 LYS A 72 17.670 -6.781 -8.676 1.00 0.00 H new ATOM 0 HD2 LYS A 72 15.620 -8.400 -8.991 1.00 0.00 H new ATOM 0 HD3 LYS A 72 14.684 -6.935 -9.212 1.00 0.00 H new ATOM 0 HE2 LYS A 72 16.942 -6.518 -10.840 1.00 0.00 H new ATOM 0 HE3 LYS A 72 16.598 -8.224 -11.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.368 -6.880 -12.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.296 -7.666 -11.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.630 -6.014 -11.364 1.00 0.00 H new ATOM 1075 N PHE A 73 16.391 -3.771 -6.837 1.00 0.00 N ATOM 1076 CA PHE A 73 17.113 -2.511 -6.802 1.00 0.00 C ATOM 1077 C PHE A 73 16.301 -1.395 -7.462 1.00 0.00 C ATOM 1078 O PHE A 73 16.221 -0.286 -6.935 1.00 0.00 O ATOM 1079 CB PHE A 73 18.409 -2.716 -7.590 1.00 0.00 C ATOM 1080 CG PHE A 73 19.619 -3.061 -6.719 1.00 0.00 C ATOM 1081 CD1 PHE A 73 20.164 -2.116 -5.908 1.00 0.00 C ATOM 1082 CD2 PHE A 73 20.148 -4.313 -6.757 1.00 0.00 C ATOM 1083 CE1 PHE A 73 21.287 -2.436 -5.100 1.00 0.00 C ATOM 1084 CE2 PHE A 73 21.271 -4.633 -5.949 1.00 0.00 C ATOM 1085 CZ PHE A 73 21.817 -3.688 -5.137 1.00 0.00 C ATOM 0 H PHE A 73 15.733 -3.864 -7.611 1.00 0.00 H new ATOM 0 HA PHE A 73 17.306 -2.222 -5.769 1.00 0.00 H new ATOM 0 HB2 PHE A 73 18.258 -3.514 -8.317 1.00 0.00 H new ATOM 0 HB3 PHE A 73 18.627 -1.809 -8.154 1.00 0.00 H new ATOM 0 HD1 PHE A 73 19.743 -1.122 -5.878 1.00 0.00 H new ATOM 0 HD2 PHE A 73 19.714 -5.064 -7.401 1.00 0.00 H new ATOM 0 HE1 PHE A 73 21.720 -1.685 -4.456 1.00 0.00 H new ATOM 0 HE2 PHE A 73 21.692 -5.627 -5.979 1.00 0.00 H new ATOM 0 HZ PHE A 73 22.671 -3.932 -4.522 1.00 0.00 H new ATOM 1095 N GLU A 74 15.719 -1.726 -8.605 1.00 0.00 N ATOM 1096 CA GLU A 74 14.915 -0.766 -9.342 1.00 0.00 C ATOM 1097 C GLU A 74 14.066 0.065 -8.378 1.00 0.00 C ATOM 1098 O GLU A 74 13.441 -0.478 -7.469 1.00 0.00 O ATOM 1099 CB GLU A 74 14.038 -1.467 -10.381 1.00 0.00 C ATOM 1100 CG GLU A 74 12.894 -0.560 -10.835 1.00 0.00 C ATOM 1101 CD GLU A 74 12.488 -0.869 -12.277 1.00 0.00 C ATOM 1102 OE1 GLU A 74 11.669 -1.797 -12.450 1.00 0.00 O ATOM 1103 OE2 GLU A 74 13.006 -0.170 -13.175 1.00 0.00 O ATOM 0 H GLU A 74 15.788 -2.646 -9.039 1.00 0.00 H new ATOM 0 HA GLU A 74 15.586 -0.094 -9.877 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.644 -1.752 -11.241 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.632 -2.386 -9.959 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.036 -0.693 -10.176 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.199 0.483 -10.755 1.00 0.00 H new ATOM 1110 N ASP A 75 14.069 1.370 -8.611 1.00 0.00 N ATOM 1111 CA ASP A 75 13.306 2.281 -7.776 1.00 0.00 C ATOM 1112 C ASP A 75 12.515 3.241 -8.666 1.00 0.00 C ATOM 1113 O ASP A 75 12.701 4.455 -8.596 1.00 0.00 O ATOM 1114 CB ASP A 75 14.230 3.115 -6.885 1.00 0.00 C ATOM 1115 CG ASP A 75 14.933 2.335 -5.773 1.00 0.00 C ATOM 1116 OD1 ASP A 75 14.271 2.100 -4.738 1.00 0.00 O ATOM 1117 OD2 ASP A 75 16.116 1.991 -5.981 1.00 0.00 O ATOM 0 H ASP A 75 14.588 1.817 -9.366 1.00 0.00 H new ATOM 0 HA ASP A 75 12.640 1.687 -7.150 1.00 0.00 H new ATOM 0 HB2 ASP A 75 14.987 3.586 -7.512 1.00 0.00 H new ATOM 0 HB3 ASP A 75 13.647 3.917 -6.433 1.00 0.00 H new ATOM 1122 N GLU A 76 11.648 2.661 -9.483 1.00 0.00 N ATOM 1123 CA GLU A 76 10.827 3.449 -10.386 1.00 0.00 C ATOM 1124 C GLU A 76 11.656 3.920 -11.582 1.00 0.00 C ATOM 1125 O GLU A 76 11.379 3.543 -12.720 1.00 0.00 O ATOM 1126 CB GLU A 76 10.194 4.636 -9.656 1.00 0.00 C ATOM 1127 CG GLU A 76 8.895 5.069 -10.338 1.00 0.00 C ATOM 1128 CD GLU A 76 8.948 6.547 -10.731 1.00 0.00 C ATOM 1129 OE1 GLU A 76 9.538 6.830 -11.796 1.00 0.00 O ATOM 1130 OE2 GLU A 76 8.398 7.360 -9.958 1.00 0.00 O ATOM 0 H GLU A 76 11.496 1.654 -9.538 1.00 0.00 H new ATOM 0 HA GLU A 76 10.018 2.818 -10.755 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.992 4.365 -8.620 1.00 0.00 H new ATOM 0 HB3 GLU A 76 10.894 5.471 -9.636 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.725 4.459 -11.225 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.053 4.897 -9.667 1.00 0.00 H new ATOM 1137 N GLU A 77 12.655 4.737 -11.285 1.00 0.00 N ATOM 1138 CA GLU A 77 13.527 5.263 -12.322 1.00 0.00 C ATOM 1139 C GLU A 77 14.624 6.131 -11.704 1.00 0.00 C ATOM 1140 O GLU A 77 15.808 5.824 -11.830 1.00 0.00 O ATOM 1141 CB GLU A 77 12.727 6.048 -13.363 1.00 0.00 C ATOM 1142 CG GLU A 77 13.270 5.802 -14.772 1.00 0.00 C ATOM 1143 CD GLU A 77 12.726 6.837 -15.759 1.00 0.00 C ATOM 1144 OE1 GLU A 77 11.508 7.107 -15.684 1.00 0.00 O ATOM 1145 OE2 GLU A 77 13.541 7.335 -16.565 1.00 0.00 O ATOM 0 H GLU A 77 12.881 5.048 -10.340 1.00 0.00 H new ATOM 0 HA GLU A 77 14.000 4.424 -12.832 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.678 5.755 -13.317 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.771 7.113 -13.133 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.359 5.845 -14.758 1.00 0.00 H new ATOM 0 HG3 GLU A 77 12.995 4.800 -15.102 1.00 0.00 H new ATOM 1152 N ALA A 78 14.191 7.199 -11.049 1.00 0.00 N ATOM 1153 CA ALA A 78 15.122 8.114 -10.411 1.00 0.00 C ATOM 1154 C ALA A 78 14.337 9.201 -9.674 1.00 0.00 C ATOM 1155 O ALA A 78 13.194 9.491 -10.024 1.00 0.00 O ATOM 1156 CB ALA A 78 16.072 8.691 -11.462 1.00 0.00 C ATOM 0 H ALA A 78 13.208 7.451 -10.947 1.00 0.00 H new ATOM 0 HA ALA A 78 15.731 7.590 -9.674 1.00 0.00 H new ATOM 0 HB1 ALA A 78 16.770 9.377 -10.983 1.00 0.00 H new ATOM 0 HB2 ALA A 78 16.626 7.881 -11.935 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.497 9.227 -12.217 1.00 0.00 H new ATOM 1162 N GLN A 79 14.982 9.773 -8.668 1.00 0.00 N ATOM 1163 CA GLN A 79 14.359 10.822 -7.879 1.00 0.00 C ATOM 1164 C GLN A 79 13.288 10.230 -6.961 1.00 0.00 C ATOM 1165 O GLN A 79 13.377 10.352 -5.740 1.00 0.00 O ATOM 1166 CB GLN A 79 13.769 11.909 -8.780 1.00 0.00 C ATOM 1167 CG GLN A 79 14.115 13.304 -8.256 1.00 0.00 C ATOM 1168 CD GLN A 79 13.543 14.390 -9.169 1.00 0.00 C ATOM 1169 OE1 GLN A 79 12.350 14.466 -9.414 1.00 0.00 O ATOM 1170 NE2 GLN A 79 14.457 15.223 -9.657 1.00 0.00 N ATOM 0 H GLN A 79 15.930 9.530 -8.381 1.00 0.00 H new ATOM 0 HA GLN A 79 15.125 11.287 -7.259 1.00 0.00 H new ATOM 0 HB2 GLN A 79 14.151 11.793 -9.794 1.00 0.00 H new ATOM 0 HB3 GLN A 79 12.686 11.795 -8.832 1.00 0.00 H new ATOM 0 HG2 GLN A 79 13.719 13.426 -7.248 1.00 0.00 H new ATOM 0 HG3 GLN A 79 15.197 13.413 -8.189 1.00 0.00 H new ATOM 0 HE21 GLN A 79 15.440 15.103 -9.411 1.00 0.00 H new ATOM 0 HE22 GLN A 79 14.176 15.982 -10.277 1.00 0.00 H new ATOM 1179 N ALA A 80 12.301 9.603 -7.583 1.00 0.00 N ATOM 1180 CA ALA A 80 11.214 8.992 -6.836 1.00 0.00 C ATOM 1181 C ALA A 80 11.730 7.737 -6.128 1.00 0.00 C ATOM 1182 O ALA A 80 11.662 6.638 -6.677 1.00 0.00 O ATOM 1183 CB ALA A 80 10.051 8.690 -7.783 1.00 0.00 C ATOM 0 H ALA A 80 12.231 9.505 -8.596 1.00 0.00 H new ATOM 0 HA ALA A 80 10.843 9.674 -6.071 1.00 0.00 H new ATOM 0 HB1 ALA A 80 9.236 8.232 -7.223 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.703 9.617 -8.238 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.385 8.006 -8.563 1.00 0.00 H new ATOM 1189 N VAL A 81 12.234 7.943 -4.920 1.00 0.00 N ATOM 1190 CA VAL A 81 12.761 6.842 -4.132 1.00 0.00 C ATOM 1191 C VAL A 81 12.768 7.237 -2.654 1.00 0.00 C ATOM 1192 O VAL A 81 12.158 6.565 -1.824 1.00 0.00 O ATOM 1193 CB VAL A 81 14.143 6.441 -4.651 1.00 0.00 C ATOM 1194 CG1 VAL A 81 15.065 7.658 -4.750 1.00 0.00 C ATOM 1195 CG2 VAL A 81 14.764 5.353 -3.773 1.00 0.00 C ATOM 0 H VAL A 81 12.289 8.856 -4.468 1.00 0.00 H new ATOM 0 HA VAL A 81 12.125 5.962 -4.231 1.00 0.00 H new ATOM 0 HB VAL A 81 14.019 6.032 -5.654 1.00 0.00 H new ATOM 0 HG11 VAL A 81 16.041 7.346 -5.121 1.00 0.00 H new ATOM 0 HG12 VAL A 81 14.633 8.387 -5.435 1.00 0.00 H new ATOM 0 HG13 VAL A 81 15.179 8.109 -3.764 1.00 0.00 H new ATOM 0 HG21 VAL A 81 15.746 5.086 -4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 81 14.868 5.724 -2.753 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.121 4.473 -3.775 1.00 0.00 H new ATOM 1205 N TYR A 82 13.467 8.327 -2.369 1.00 0.00 N ATOM 1206 CA TYR A 82 13.562 8.820 -1.005 1.00 0.00 C ATOM 1207 C TYR A 82 14.228 7.786 -0.094 1.00 0.00 C ATOM 1208 O TYR A 82 13.561 6.897 0.432 1.00 0.00 O ATOM 1209 CB TYR A 82 12.123 9.043 -0.536 1.00 0.00 C ATOM 1210 CG TYR A 82 11.818 10.487 -0.133 1.00 0.00 C ATOM 1211 CD1 TYR A 82 11.869 11.493 -1.076 1.00 0.00 C ATOM 1212 CD2 TYR A 82 11.491 10.784 1.175 1.00 0.00 C ATOM 1213 CE1 TYR A 82 11.581 12.852 -0.696 1.00 0.00 C ATOM 1214 CE2 TYR A 82 11.204 12.143 1.555 1.00 0.00 C ATOM 1215 CZ TYR A 82 11.263 13.110 0.601 1.00 0.00 C ATOM 1216 OH TYR A 82 10.991 14.393 0.960 1.00 0.00 O ATOM 0 H TYR A 82 13.973 8.882 -3.059 1.00 0.00 H new ATOM 0 HA TYR A 82 14.160 9.730 -0.967 1.00 0.00 H new ATOM 0 HB2 TYR A 82 11.442 8.747 -1.334 1.00 0.00 H new ATOM 0 HB3 TYR A 82 11.923 8.389 0.313 1.00 0.00 H new ATOM 0 HD1 TYR A 82 12.125 11.261 -2.099 1.00 0.00 H new ATOM 0 HD2 TYR A 82 11.450 9.997 1.913 1.00 0.00 H new ATOM 0 HE1 TYR A 82 11.617 13.648 -1.425 1.00 0.00 H new ATOM 0 HE2 TYR A 82 10.948 12.389 2.575 1.00 0.00 H new ATOM 0 HH TYR A 82 10.779 14.427 1.916 1.00 0.00 H new ATOM 1226 N SER A 83 15.535 7.938 0.063 1.00 0.00 N ATOM 1227 CA SER A 83 16.298 7.030 0.902 1.00 0.00 C ATOM 1228 C SER A 83 16.894 7.789 2.089 1.00 0.00 C ATOM 1229 O SER A 83 16.667 7.423 3.241 1.00 0.00 O ATOM 1230 CB SER A 83 17.406 6.341 0.102 1.00 0.00 C ATOM 1231 OG SER A 83 16.882 5.528 -0.945 1.00 0.00 O ATOM 0 H SER A 83 16.085 8.676 -0.377 1.00 0.00 H new ATOM 0 HA SER A 83 15.623 6.260 1.274 1.00 0.00 H new ATOM 0 HB2 SER A 83 18.069 7.095 -0.322 1.00 0.00 H new ATOM 0 HB3 SER A 83 18.008 5.727 0.771 1.00 0.00 H new ATOM 0 HG SER A 83 17.620 5.107 -1.433 1.00 0.00 H new ATOM 1237 N GLY A 84 17.645 8.832 1.767 1.00 0.00 N ATOM 1238 CA GLY A 84 18.275 9.646 2.792 1.00 0.00 C ATOM 1239 C GLY A 84 18.848 10.933 2.196 1.00 0.00 C ATOM 1240 O GLY A 84 18.619 11.234 1.025 1.00 0.00 O ATOM 0 H GLY A 84 17.831 9.132 0.810 1.00 0.00 H new ATOM 0 HA2 GLY A 84 17.547 9.892 3.565 1.00 0.00 H new ATOM 0 HA3 GLY A 84 19.071 9.078 3.274 1.00 0.00 H new ATOM 1244 N PRO A 85 19.601 11.677 3.050 1.00 0.00 N ATOM 1245 CA PRO A 85 20.208 12.925 2.619 1.00 0.00 C ATOM 1246 C PRO A 85 21.420 12.664 1.723 1.00 0.00 C ATOM 1247 O PRO A 85 22.440 12.154 2.184 1.00 0.00 O ATOM 1248 CB PRO A 85 20.566 13.652 3.905 1.00 0.00 C ATOM 1249 CG PRO A 85 20.573 12.593 4.995 1.00 0.00 C ATOM 1250 CD PRO A 85 19.893 11.351 4.442 1.00 0.00 C ATOM 0 HA PRO A 85 19.538 13.530 2.008 1.00 0.00 H new ATOM 0 HB2 PRO A 85 21.540 14.134 3.823 1.00 0.00 H new ATOM 0 HB3 PRO A 85 19.840 14.435 4.126 1.00 0.00 H new ATOM 0 HG2 PRO A 85 21.595 12.365 5.300 1.00 0.00 H new ATOM 0 HG3 PRO A 85 20.049 12.953 5.880 1.00 0.00 H new ATOM 0 HD2 PRO A 85 20.542 10.478 4.517 1.00 0.00 H new ATOM 0 HD3 PRO A 85 18.982 11.119 4.994 1.00 0.00 H new ATOM 1258 N SER A 86 21.269 13.026 0.457 1.00 0.00 N ATOM 1259 CA SER A 86 22.338 12.837 -0.508 1.00 0.00 C ATOM 1260 C SER A 86 23.436 13.880 -0.283 1.00 0.00 C ATOM 1261 O SER A 86 23.263 15.050 -0.619 1.00 0.00 O ATOM 1262 CB SER A 86 21.809 12.925 -1.941 1.00 0.00 C ATOM 1263 OG SER A 86 22.331 11.888 -2.768 1.00 0.00 O ATOM 0 H SER A 86 20.422 13.449 0.078 1.00 0.00 H new ATOM 0 HA SER A 86 22.756 11.841 -0.364 1.00 0.00 H new ATOM 0 HB2 SER A 86 20.721 12.866 -1.930 1.00 0.00 H new ATOM 0 HB3 SER A 86 22.072 13.894 -2.365 1.00 0.00 H new ATOM 0 HG SER A 86 21.968 11.978 -3.674 1.00 0.00 H new ATOM 1269 N SER A 87 24.540 13.416 0.282 1.00 0.00 N ATOM 1270 CA SER A 87 25.666 14.294 0.556 1.00 0.00 C ATOM 1271 C SER A 87 26.502 14.483 -0.711 1.00 0.00 C ATOM 1272 O SER A 87 26.751 13.526 -1.443 1.00 0.00 O ATOM 1273 CB SER A 87 26.534 13.740 1.687 1.00 0.00 C ATOM 1274 OG SER A 87 26.730 14.695 2.726 1.00 0.00 O ATOM 0 H SER A 87 24.680 12.444 0.558 1.00 0.00 H new ATOM 0 HA SER A 87 25.276 15.261 0.874 1.00 0.00 H new ATOM 0 HB2 SER A 87 26.065 12.847 2.099 1.00 0.00 H new ATOM 0 HB3 SER A 87 27.501 13.436 1.286 1.00 0.00 H new ATOM 0 HG SER A 87 27.288 14.303 3.430 1.00 0.00 H new ATOM 1280 N GLY A 88 26.913 15.723 -0.932 1.00 0.00 N ATOM 1281 CA GLY A 88 27.716 16.049 -2.098 1.00 0.00 C ATOM 1282 C GLY A 88 29.002 16.772 -1.693 1.00 0.00 C ATOM 1283 O GLY A 88 30.093 16.388 -2.112 1.00 0.00 O ATOM 0 H GLY A 88 26.705 16.514 -0.323 1.00 0.00 H new ATOM 0 HA2 GLY A 88 27.963 15.136 -2.641 1.00 0.00 H new ATOM 0 HA3 GLY A 88 27.140 16.677 -2.777 1.00 0.00 H new TER 1287 GLY A 88